N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine

C19H29N3 — CID 118292402

IUPACN-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESCN1CCC(N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C19H29N3/c1-21-9-7-17(8-10-21)22-13-15(14-22)12-20-19-11-18(19)16-5-3-2-4-6-16/h2-6,15,17-20H,7-14H2,1H3
InChIKeyHWABSZBZAQXJFK-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.16
Rot. Bonds5

About N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine

N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 118292402) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID118292402
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESCN1CCC(N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C19H29N3/c1-21-9-7-17(8-10-21)22-13-15(14-22)12-20-19-11-18(19)16-5-3-2-4-6-16/h2-6,15,17-20H,7-14H2,1H3
InChIKeyHWABSZBZAQXJFK-UHFFFAOYSA-N
XLogP2.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzylpiperidine
CID 118004
2-Diphenylmethylpiperidine
CID 160506
3-Phenylpiperidine hydrochloride
CID 17390008
Iadademstat
CID 71543365
Gsk-lsd1
CID 71522234
Iadademstat dihydrochloride
CID 71664305
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
1-(2-Phenylethyl)piperidin-4-amine
CID 10728788
3-Phenylpiperidine
CID 107207
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
GSK-LSD1 Dihydrochloride
CID 91663353
2-(2-Phenylethyl)piperidine
CID 5190919

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine (CID 118292402) is N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine is CN1CCC(N2CC(CNC3CC3c3ccccc3)C2)CC1.
What is the InChIKey of N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is HWABSZBZAQXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-21-9-7-17(8-10-21)22-13-15(14-22)12-20-19-11-18(19)16-5-3-2-4-6-16/h2-6,15,17-20H,7-14H2,1H3.
What are the key properties of N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpiperidin-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 118292402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).