3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine

C17H28N4O2 — CID 18766181

IUPAC3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine
SMILESCN(C)/C(=N\c1ccccc1)NOCC(O)CN1CCCCC1
InChIInChI=1S/C17H28N4O2/c1-20(2)17(18-15-9-5-3-6-10-15)19-23-14-16(22)13-21-11-7-4-8-12-21/h3,5-6,9-10,16,22H,4,7-8,11-14H2,1-2H3,(H,18,19)
InChIKeyYGEJFAQGOWPRNW-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.60
Rot. Bonds6

About 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine

3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine (PubChem CID 18766181) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine.

Molecular Properties

Compound Name3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine
PubChem CID18766181
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine
SMILESCN(C)/C(=N\c1ccccc1)NOCC(O)CN1CCCCC1
InChIInChI=1S/C17H28N4O2/c1-20(2)17(18-15-9-5-3-6-10-15)19-23-14-16(22)13-21-11-7-4-8-12-21/h3,5-6,9-10,16,22H,4,7-8,11-14H2,1-2H3,(H,18,19)
InChIKeyYGEJFAQGOWPRNW-UHFFFAOYSA-N
XLogP1.60
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride
CID 87474648
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25377026

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine?
The IUPAC name of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine (CID 18766181) is 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine.
What is the SMILES notation for 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine?
The canonical SMILES for 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine is CN(C)/C(=N\c1ccccc1)NOCC(O)CN1CCCCC1.
What is the InChIKey of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine?
The InChIKey is YGEJFAQGOWPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(2)17(18-15-9-5-3-6-10-15)19-23-14-16(22)13-21-11-7-4-8-12-21/h3,5-6,9-10,16,22H,4,7-8,11-14H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine?
3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine has a molecular weight of 320.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine is sourced from PubChem (CID 18766181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).