N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine

C16H24N2 — CID 63133645

IUPACN-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCC1(CNC2CC2c2ccccc2)CCCNC1
InChIInChI=1S/C16H24N2/c1-16(8-5-9-17-11-16)12-18-15-10-14(15)13-6-3-2-4-7-13/h2-4,6-7,14-15,17-18H,5,8-12H2,1H3
InChIKeyRRPHHCKRUADOTN-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.52
Rot. Bonds4

About N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine

N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 63133645) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID63133645
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCC1(CNC2CC2c2ccccc2)CCCNC1
InChIInChI=1S/C16H24N2/c1-16(8-5-9-17-11-16)12-18-15-10-14(15)13-6-3-2-4-7-13/h2-4,6-7,14-15,17-18H,5,8-12H2,1H3
InChIKeyRRPHHCKRUADOTN-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine (CID 63133645) is N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine is CC1(CNC2CC2c2ccccc2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is RRPHHCKRUADOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(8-5-9-17-11-16)12-18-15-10-14(15)13-6-3-2-4-7-13/h2-4,6-7,14-15,17-18H,5,8-12H2,1H3.
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 63133645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).