(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride

C16H25ClN2O2 — CID 119380613

IUPAC(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
SMILESCCC(C)Oc1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-12(2)20-15-8-6-13(7-9-15)16(19)18-10-4-5-14(17)11-18;/h6-9,12,14H,3-5,10-11,17H2,1-2H3;1H
InChIKeySBYZVPOTTMONEN-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.85
Rot. Bonds4

About (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride (PubChem CID 119380613) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
PubChem CID119380613
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
SMILESCCC(C)Oc1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-12(2)20-15-8-6-13(7-9-15)16(19)18-10-4-5-14(17)11-18;/h6-9,12,14H,3-5,10-11,17H2,1-2H3;1H
InChIKeySBYZVPOTTMONEN-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butan-2-yloxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111825794
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride (CID 119380613) is (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride is CCC(C)Oc1ccc(C(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride?
The InChIKey is SBYZVPOTTMONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-12(2)20-15-8-6-13(7-9-15)16(19)18-10-4-5-14(17)11-18;/h6-9,12,14H,3-5,10-11,17H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119380613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).