1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine

C16H24N2 — CID 79707917

IUPAC1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCNCC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-4-14(5-3-1)16(15-6-7-15)18-12-13-8-10-17-11-9-13/h1-5,13,15-18H,6-12H2
InChIKeyJMXDKRHZNQWHPI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.73
Rot. Bonds5

About 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine

1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine (PubChem CID 79707917) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
PubChem CID79707917
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCNCC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-4-14(5-3-1)16(15-6-7-15)18-12-13-8-10-17-11-9-13/h1-5,13,15-18H,6-12H2
InChIKeyJMXDKRHZNQWHPI-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine (CID 79707917) is 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine is c1ccc(C(NCC2CCNCC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
The InChIKey is JMXDKRHZNQWHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-14(5-3-1)16(15-6-7-15)18-12-13-8-10-17-11-9-13/h1-5,13,15-18H,6-12H2.
What are the key properties of 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine is sourced from PubChem (CID 79707917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).