1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol

C16H24ClNO3 — CID 3709634

IUPAC1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCCOc1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C16H24ClNO3/c17-14-4-6-16(7-5-14)21-11-10-20-13-15(19)12-18-8-2-1-3-9-18/h4-7,15,19H,1-3,8-13H2
InChIKeyNVMVNHYSYDOVRY-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.58
Rot. Bonds8

About 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol

1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 3709634) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID3709634
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCCOc1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C16H24ClNO3/c17-14-4-6-16(7-5-14)21-11-10-20-13-15(19)12-18-8-2-1-3-9-18/h4-7,15,19H,1-3,8-13H2
InChIKeyNVMVNHYSYDOVRY-UHFFFAOYSA-N
XLogP2.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 4670670
1-(azepan-1-yl)-3-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 43865760
1-[2-(4-bromophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 12005912
(2S)-1-[2-(4-propan-2-ylphenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 51975381
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7165338
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 26498058
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 7176756
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 9498868
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol (CID 3709634) is 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol is OC(COCCOc1ccc(Cl)cc1)CN1CCCCC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is NVMVNHYSYDOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c17-14-4-6-16(7-5-14)21-11-10-20-13-15(19)12-18-8-2-1-3-9-18/h4-7,15,19H,1-3,8-13H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol?
1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 313.82 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 3709634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).