1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride

C17H27ClNO2- — CID 21237668

IUPAC1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
SMILESCCCc1ccc(OCC(O)CN2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-2-6-15-7-9-17(10-8-15)20-14-16(19)13-18-11-4-3-5-12-18;/h7-10,16,19H,2-6,11-14H2,1H3;1H/p-1
InChIKeyDIAYCCXJSFRDDD-UHFFFAOYSA-M
MW312.86 g/mol
LogP-0.13
Rot. Bonds7

About 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride

1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride (PubChem CID 21237668) has the molecular formula C17H27ClNO2- and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
PubChem CID21237668
Molecular FormulaC17H27ClNO2-
Molecular Weight312.86 g/mol
Exact Mass312.17
IUPAC Name1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
SMILESCCCc1ccc(OCC(O)CN2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-2-6-15-7-9-17(10-8-15)20-14-16(19)13-18-11-4-3-5-12-18;/h7-10,16,19H,2-6,11-14H2,1H3;1H/p-1
InChIKeyDIAYCCXJSFRDDD-UHFFFAOYSA-M
XLogP-0.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 43253320
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
CID 2770649
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride (CID 21237668) is 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride is CCCc1ccc(OCC(O)CN2CCCCC2)cc1.[Cl-].
What is the InChIKey of 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride?
The InChIKey is DIAYCCXJSFRDDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H27NO2.ClH/c1-2-6-15-7-9-17(10-8-15)20-14-16(19)13-18-11-4-3-5-12-18;/h7-10,16,19H,2-6,11-14H2,1H3;1H/p-1.
What are the key properties of 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride?
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride has a molecular weight of 312.86 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21237668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).