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

C17H26N2O — CID 118290144

IUPACtrans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESCOCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCNCC1
InChIInChI=1S/C17H26N2O/c1-20-13-17(7-9-18-10-8-17)12-19-16-11-15(16)14-5-3-2-4-6-14/h2-6,15-16,18-19H,7-13H2,1H3/t15-,16+/m0/s1
InChIKeyKKRXRKUATQWSSI-JKSUJKDBSA-N
MW274.41 g/mol
LogP2.15
Rot. Bonds6

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

trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 118290144) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID118290144
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Nametrans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESCOCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCNCC1
InChIInChI=1S/C17H26N2O/c1-20-13-17(7-9-18-10-8-17)12-19-16-11-15(16)14-5-3-2-4-6-14/h2-6,15-16,18-19H,7-13H2,1H3/t15-,16+/m0/s1
InChIKeyKKRXRKUATQWSSI-JKSUJKDBSA-N
XLogP2.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine with MolForge

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Related Compounds

2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 63143291
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897
N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133644
6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 118301996
(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
[(3R)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290787
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266287
[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123659250
N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 175197217

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (CID 118290144) is trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCNCC1.
What is the InChIKey of trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is KKRXRKUATQWSSI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-13-17(7-9-18-10-8-17)12-19-16-11-15(16)14-5-3-2-4-6-14/h2-6,15-16,18-19H,7-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 118290144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).