trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine

C16H24N2 — CID 66571590

IUPACtrans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-18-9-7-13(8-10-18)12-17-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3/t15-,16+/m0/s1
InChIKeyLUISFHAUPRIBEE-JKSUJKDBSA-N
MW244.38 g/mol
LogP2.47
Rot. Bonds4

About trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 66571590) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID66571590
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Nametrans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-18-9-7-13(8-10-18)12-17-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3/t15-,16+/m0/s1
InChIKeyLUISFHAUPRIBEE-JKSUJKDBSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine (CID 66571590) is trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine is CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is LUISFHAUPRIBEE-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-9-7-13(8-10-18)12-17-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 66571590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).