N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine

C17H26N2 — CID 62593278

IUPACN-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESCc1cccc(CN2CCC(CNC3CC3)CC2)c1
InChIInChI=1S/C17H26N2/c1-14-3-2-4-16(11-14)13-19-9-7-15(8-10-19)12-18-17-5-6-17/h2-4,11,15,17-18H,5-10,12-13H2,1H3
InChIKeyBHLAKFXMFZBKQE-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.96
Rot. Bonds5

About N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine

N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 62593278) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
PubChem CID62593278
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESCc1cccc(CN2CCC(CNC3CC3)CC2)c1
InChIInChI=1S/C17H26N2/c1-14-3-2-4-16(11-14)13-19-9-7-15(8-10-19)12-18-17-5-6-17/h2-4,11,15,17-18H,5-10,12-13H2,1H3
InChIKeyBHLAKFXMFZBKQE-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (CID 62593278) is N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is Cc1cccc(CN2CCC(CNC3CC3)CC2)c1.
What is the InChIKey of N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is BHLAKFXMFZBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-3-2-4-16(11-14)13-19-9-7-15(8-10-19)12-18-17-5-6-17/h2-4,11,15,17-18H,5-10,12-13H2,1H3.
What are the key properties of N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62593278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).