N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine

C16H24N2 — CID 83996558

IUPACN-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCC3CC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-13-4-8-16(9-5-13)18-10-2-3-15(12-18)17-11-14-6-7-14/h4-5,8-9,14-15,17H,2-3,6-7,10-12H2,1H3
InChIKeyCBVULRYSAIXXCJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.96
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine

N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine (PubChem CID 83996558) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
PubChem CID83996558
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCC3CC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-13-4-8-16(9-5-13)18-10-2-3-15(12-18)17-11-14-6-7-14/h4-5,8-9,14-15,17H,2-3,6-7,10-12H2,1H3
InChIKeyCBVULRYSAIXXCJ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
CID 83996571
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
1-[(3-hydroxycyclohexyl)methyl]-3-[1-(4-methylphenyl)piperidin-3-yl]urea
CID 111508510
(1S,5R)-N-[1-(4-methylphenyl)piperidin-3-yl]-3-azabicyclo[3.2.0]heptane-3-sulfonamide
CID 166271940
1-(4-methylphenyl)azepan-3-amine
CID 84672656
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine (CID 83996558) is N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine is Cc1ccc(N2CCCC(NCC3CC3)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?
The InChIKey is CBVULRYSAIXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-4-8-16(9-5-13)18-10-2-3-15(12-18)17-11-14-6-7-14/h4-5,8-9,14-15,17H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine?
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83996558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).