1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride

C31H49Cl3N4O3 — CID 173436955

IUPAC1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
SMILESCl.Cl.NC(CC(c1ccccc1)c1ccccc1)=NOCC(O)CN1CCCCC1.OC(CCl)CN1CCCCC1
InChIInChI=1S/C23H31N3O2.C8H16ClNO.2ClH/c24-23(25-28-18-21(27)17-26-14-8-3-9-15-26)16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20;9-6-8(11)7-10-4-2-1-3-5-10;;/h1-2,4-7,10-13,21-22,27H,3,8-9,14-18H2,(H2,24,25);8,11H,1-7H2;2*1H
InChIKeyWIFDFVLYKOKTSV-UHFFFAOYSA-N
MW632.12 g/mol
LogP5.26
Rot. Bonds12

About 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride

1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride (PubChem CID 173436955) has the molecular formula C31H49Cl3N4O3 and a molecular weight of 632.12 g/mol. Its IUPAC name is 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride.

Molecular Properties

Compound Name1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
PubChem CID173436955
Molecular FormulaC31H49Cl3N4O3
Molecular Weight632.12 g/mol
Exact Mass630.29
IUPAC Name1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
SMILESCl.Cl.NC(CC(c1ccccc1)c1ccccc1)=NOCC(O)CN1CCCCC1.OC(CCl)CN1CCCCC1
InChIInChI=1S/C23H31N3O2.C8H16ClNO.2ClH/c24-23(25-28-18-21(27)17-26-14-8-3-9-15-26)16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20;9-6-8(11)7-10-4-2-1-3-5-10;;/h1-2,4-7,10-13,21-22,27H,3,8-9,14-18H2,(H2,24,25);8,11H,1-7H2;2*1H
InChIKeyWIFDFVLYKOKTSV-UHFFFAOYSA-N
XLogP5.26
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.12
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 20557062
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)thiophene-2-carboximidoyl chloride
CID 87474647
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-2H-quinoline-1-carboximidoyl chloride
CID 150474069
2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 59851564

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
The IUPAC name of 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride (CID 173436955) is 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride.
What is the SMILES notation for 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
The canonical SMILES for 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride is Cl.Cl.NC(CC(c1ccccc1)c1ccccc1)=NOCC(O)CN1CCCCC1.OC(CCl)CN1CCCCC1.
What is the InChIKey of 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
The InChIKey is WIFDFVLYKOKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.C8H16ClNO.2ClH/c24-23(25-28-18-21(27)17-26-14-8-3-9-15-26)16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20;9-6-8(11)7-10-4-2-1-3-5-10;;/h1-2,4-7,10-13,21-22,27H,3,8-9,14-18H2,(H2,24,25);8,11H,1-7H2;2*1H.
What are the key properties of 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride has a molecular weight of 632.12 g/mol, XLogP of 5.26, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride is sourced from PubChem (CID 173436955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).