[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone

C21H32N2O2 — CID 119520348

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
SMILESCC(N)C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-16(22)18-11-13-23(14-12-18)21(24)19-7-9-20(10-8-19)25-15-17-5-3-2-4-6-17/h7-10,16-18H,2-6,11-15,22H2,1H3
InChIKeyBEYSYLILGOTEHD-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.85
Rot. Bonds5

About [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone (PubChem CID 119520348) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
PubChem CID119520348
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
SMILESCC(N)C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-16(22)18-11-13-23(14-12-18)21(24)19-7-9-20(10-8-19)25-15-17-5-3-2-4-6-17/h7-10,16-18H,2-6,11-15,22H2,1H3
InChIKeyBEYSYLILGOTEHD-UHFFFAOYSA-N
XLogP3.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119596221
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119520334
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
[4-(cyclohexylmethoxy)phenyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418066
3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
CID 119520336
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone (CID 119520348) is [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone is CC(N)C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone?
The InChIKey is BEYSYLILGOTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(22)18-11-13-23(14-12-18)21(24)19-7-9-20(10-8-19)25-15-17-5-3-2-4-6-17/h7-10,16-18H,2-6,11-15,22H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone has a molecular weight of 344.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone is sourced from PubChem (CID 119520348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).