N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine

C18H29N3 — CID 120900928

IUPACN-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCc1cccc(NC2CCN(CC3(C)CCNC3)CC2)c1
InChIInChI=1S/C18H29N3/c1-15-4-3-5-17(12-15)20-16-6-10-21(11-7-16)14-18(2)8-9-19-13-18/h3-5,12,16,19-20H,6-11,13-14H2,1-2H3
InChIKeyZEVUVEQIZTZDFP-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.87
Rot. Bonds4

About N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine

N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine (PubChem CID 120900928) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
PubChem CID120900928
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCc1cccc(NC2CCN(CC3(C)CCNC3)CC2)c1
InChIInChI=1S/C18H29N3/c1-15-4-3-5-17(12-15)20-16-6-10-21(11-7-16)14-18(2)8-9-19-13-18/h3-5,12,16,19-20H,6-11,13-14H2,1-2H3
InChIKeyZEVUVEQIZTZDFP-UHFFFAOYSA-N
XLogP2.87
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine (CID 120900928) is N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine is Cc1cccc(NC2CCN(CC3(C)CCNC3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The InChIKey is ZEVUVEQIZTZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-4-3-5-17(12-15)20-16-6-10-21(11-7-16)14-18(2)8-9-19-13-18/h3-5,12,16,19-20H,6-11,13-14H2,1-2H3.
What are the key properties of N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120900928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).