1-[4-(1-aminoethyl)phenyl]piperidin-3-ol

C13H20N2O — CID 61434763

IUPAC1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
SMILESCC(N)c1ccc(N2CCCC(O)C2)cc1
InChIInChI=1S/C13H20N2O/c1-10(14)11-4-6-12(7-5-11)15-8-2-3-13(16)9-15/h4-7,10,13,16H,2-3,8-9,14H2,1H3
InChIKeySSLXAECQEXRLJX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds2

About 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol

1-[4-(1-aminoethyl)phenyl]piperidin-3-ol (PubChem CID 61434763) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
PubChem CID61434763
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
SMILESCC(N)c1ccc(N2CCCC(O)C2)cc1
InChIInChI=1S/C13H20N2O/c1-10(14)11-4-6-12(7-5-11)15-8-2-3-13(16)9-15/h4-7,10,13,16H,2-3,8-9,14H2,1H3
InChIKeySSLXAECQEXRLJX-UHFFFAOYSA-N
XLogP1.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
1-[4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 81198752
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
(3R)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 174597326

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol (CID 61434763) is 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol is CC(N)c1ccc(N2CCCC(O)C2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol?
The InChIKey is SSLXAECQEXRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(14)11-4-6-12(7-5-11)15-8-2-3-13(16)9-15/h4-7,10,13,16H,2-3,8-9,14H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol?
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 61434763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).