(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol

C16H25NO3 — CID 107225998

IUPAC(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
SMILESCCCOc1ccc(OCCN2CCC[C@H](O)C2)cc1
InChIInChI=1S/C16H25NO3/c1-2-11-19-15-5-7-16(8-6-15)20-12-10-17-9-3-4-14(18)13-17/h5-8,14,18H,2-4,9-13H2,1H3/t14-/m0/s1
InChIKeyDMPUSGJTIXMDOQ-AWEZNQCLSA-N
MW279.38 g/mol
LogP2.31
Rot. Bonds7

About (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol

(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol (PubChem CID 107225998) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
PubChem CID107225998
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
SMILESCCCOc1ccc(OCCN2CCC[C@H](O)C2)cc1
InChIInChI=1S/C16H25NO3/c1-2-11-19-15-5-7-16(8-6-15)20-12-10-17-9-3-4-14(18)13-17/h5-8,14,18H,2-4,9-13H2,1H3/t14-/m0/s1
InChIKeyDMPUSGJTIXMDOQ-AWEZNQCLSA-N
XLogP2.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 119916827
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol (CID 107225998) is (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol is CCCOc1ccc(OCCN2CCC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
The InChIKey is DMPUSGJTIXMDOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-11-19-15-5-7-16(8-6-15)20-12-10-17-9-3-4-14(18)13-17/h5-8,14,18H,2-4,9-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol has a molecular weight of 279.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol is sourced from PubChem (CID 107225998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).