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

C15H23N3O2 — CID 114681075

IUPACN-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-10-9-18(8-7-14(10)19)15(20)17-13-5-3-12(4-6-13)11(2)16/h3-6,10-11,14,19H,7-9,16H2,1-2H3,(H,17,20)
InChIKeyUPUHXTDIUDJJEF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.94
Rot. Bonds2

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

N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 114681075) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID114681075
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-10-9-18(8-7-14(10)19)15(20)17-13-5-3-12(4-6-13)11(2)16/h3-6,10-11,14,19H,7-9,16H2,1-2H3,(H,17,20)
InChIKeyUPUHXTDIUDJJEF-UHFFFAOYSA-N
XLogP1.94
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
CID 79179400
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
CID 63627417
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 46262425

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide (CID 114681075) is N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide is CC(N)c1ccc(NC(=O)N2CCC(O)C(C)C2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is UPUHXTDIUDJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-9-18(8-7-14(10)19)15(20)17-13-5-3-12(4-6-13)11(2)16/h3-6,10-11,14,19H,7-9,16H2,1-2H3,(H,17,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.94, 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]-4-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 114681075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).