(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone

C19H28N2O2 — CID 119376325

IUPAC(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O2/c20-17-10-12-21(13-11-17)19(22)16-6-8-18(9-7-16)23-14-15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-14,20H2
InChIKeyGZYVENFJFMMJSS-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.21
Rot. Bonds4

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

(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone (PubChem CID 119376325) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
PubChem CID119376325
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O2/c20-17-10-12-21(13-11-17)19(22)16-6-8-18(9-7-16)23-14-15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-14,20H2
InChIKeyGZYVENFJFMMJSS-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
[4-(cyclohexylmethoxy)phenyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418066
[3-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119596221
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone (CID 119376325) is (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone is NC1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone?
The InChIKey is GZYVENFJFMMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c20-17-10-12-21(13-11-17)19(22)16-6-8-18(9-7-16)23-14-15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-14,20H2.
What are the key properties of (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone?
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone has a molecular weight of 316.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone is sourced from PubChem (CID 119376325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).