N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide

C14H21N3O2 — CID 61438878

IUPACN-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H21N3O2/c1-10(15)11-4-6-12(7-5-11)16-14(19)17-8-2-3-13(18)9-17/h4-7,10,13,18H,2-3,8-9,15H2,1H3,(H,16,19)
InChIKeyYRNSTOKXRQZVCF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.69
Rot. Bonds2

About N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide

N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 61438878) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID61438878
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H21N3O2/c1-10(15)11-4-6-12(7-5-11)16-14(19)17-8-2-3-13(18)9-17/h4-7,10,13,18H,2-3,8-9,15H2,1H3,(H,16,19)
InChIKeyYRNSTOKXRQZVCF-UHFFFAOYSA-N
XLogP1.69
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114681075
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide (CID 61438878) is N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide is CC(N)c1ccc(NC(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is YRNSTOKXRQZVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(15)11-4-6-12(7-5-11)16-14(19)17-8-2-3-13(18)9-17/h4-7,10,13,18H,2-3,8-9,15H2,1H3,(H,16,19).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 61438878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).