N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C17H26N2 — CID 55069877

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CCCN(Cc2ccccc2CNC2CC2)C1
InChIInChI=1S/C17H26N2/c1-14-5-4-10-19(12-14)13-16-7-3-2-6-15(16)11-18-17-8-9-17/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3
InChIKeyMBFQDRGQEHAENI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds5

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 55069877) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID55069877
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CCCN(Cc2ccccc2CNC2CC2)C1
InChIInChI=1S/C17H26N2/c1-14-5-4-10-19(12-14)13-16-7-3-2-6-15(16)11-18-17-8-9-17/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3
InChIKeyMBFQDRGQEHAENI-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
N-[[3-bromo-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102768872
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167084
1-benzyl-3-methylpiperidine
CID 2794856
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030403
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 55069877) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is CC1CCCN(Cc2ccccc2CNC2CC2)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is MBFQDRGQEHAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-5-4-10-19(12-14)13-16-7-3-2-6-15(16)11-18-17-8-9-17/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3.
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55069877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).