N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline

C17H26N2 — CID 83960979

IUPACN-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCCN(Cc2ccc(NCC3CC3)cc2)C1
InChIInChI=1S/C17H26N2/c1-14-3-2-10-19(12-14)13-16-6-8-17(9-7-16)18-11-15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3
InChIKeyVIWXUWXDNCEORO-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.74
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline

N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline (PubChem CID 83960979) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
PubChem CID83960979
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCCN(Cc2ccc(NCC3CC3)cc2)C1
InChIInChI=1S/C17H26N2/c1-14-3-2-10-19(12-14)13-16-6-8-17(9-7-16)18-11-15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3
InChIKeyVIWXUWXDNCEORO-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]ethanethiol
CID 83960967
4-[(3-methylpiperidin-1-yl)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 83960996
N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine
CID 83960954
3-methyl-1-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butane-1,2-diamine
CID 83960955
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
3-[[4-[(3-methylpiperidin-1-yl)methyl]anilino]methyl]aniline
CID 83960991
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
1-benzyl-3-methylpiperidine
CID 2794856
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline (CID 83960979) is N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline is CC1CCCN(Cc2ccc(NCC3CC3)cc2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is VIWXUWXDNCEORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-3-2-10-19(12-14)13-16-6-8-17(9-7-16)18-11-15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline?
N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 258.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 83960979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).