N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine

C20H34N2 — CID 143280273

IUPACN-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(C(C)CC)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C20H34N2/c1-5-13-22(18(4)6-2)20-11-14-21(15-12-20)16-19-9-7-17(3)8-10-19/h7-10,18,20H,5-6,11-16H2,1-4H3
InChIKeyAKKKFPYDOZMIQS-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.47
Rot. Bonds7

About N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine

N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 143280273) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID143280273
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(C(C)CC)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C20H34N2/c1-5-13-22(18(4)6-2)20-11-14-21(15-12-20)16-19-9-7-17(3)8-10-19/h7-10,18,20H,5-6,11-16H2,1-4H3
InChIKeyAKKKFPYDOZMIQS-UHFFFAOYSA-N
XLogP4.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine (CID 143280273) is N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine is CCCN(C(C)CC)C1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is AKKKFPYDOZMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-5-13-22(18(4)6-2)20-11-14-21(15-12-20)16-19-9-7-17(3)8-10-19/h7-10,18,20H,5-6,11-16H2,1-4H3.
What are the key properties of N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine?
N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 302.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 143280273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).