(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone

C16H22N2O — CID 170995559

IUPAC(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N)cc2C2CC2)CC1
InChIInChI=1S/C16H22N2O/c1-11-6-8-18(9-7-11)16(19)14-5-4-13(17)10-15(14)12-2-3-12/h4-5,10-12H,2-3,6-9,17H2,1H3
InChIKeyUWNRZUFZAIMPLJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.02
Rot. Bonds2

About (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone

(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 170995559) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID170995559
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N)cc2C2CC2)CC1
InChIInChI=1S/C16H22N2O/c1-11-6-8-18(9-7-11)16(19)14-5-4-13(17)10-15(14)12-2-3-12/h4-5,10-12H,2-3,6-9,17H2,1H3
InChIKeyUWNRZUFZAIMPLJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 170995564
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
[5-amino-2-(dipropylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683046
(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 107073666
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 170995559) is (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N)cc2C2CC2)CC1.
What is the InChIKey of (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UWNRZUFZAIMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-8-18(9-7-11)16(19)14-5-4-13(17)10-15(14)12-2-3-12/h4-5,10-12H,2-3,6-9,17H2,1H3.
What are the key properties of (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone?
(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 170995559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).