(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

C17H27N3O — CID 60959683

IUPAC(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)19(3)12-14-8-10-20(11-9-14)17(21)15-6-4-5-7-16(15)18/h4-7,13-14H,8-12,18H2,1-3H3
InChIKeyNBPZPKZKPSIKET-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.46
Rot. Bonds4

About (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 60959683) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID60959683
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)19(3)12-14-8-10-20(11-9-14)17(21)15-6-4-5-7-16(15)18/h4-7,13-14H,8-12,18H2,1-3H3
InChIKeyNBPZPKZKPSIKET-UHFFFAOYSA-N
XLogP2.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60954454
N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
CID 119945365
(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61075607
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
(4-amino-1-methylpyrazol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 65359734
(4-amino-5-methylthiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61115746
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 138993124
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 60959683) is (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is CC(C)N(C)CC1CCN(C(=O)c2ccccc2N)CC1.
What is the InChIKey of (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is NBPZPKZKPSIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)19(3)12-14-8-10-20(11-9-14)17(21)15-6-4-5-7-16(15)18/h4-7,13-14H,8-12,18H2,1-3H3.
What are the key properties of (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 289.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 60959683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).