N-methyl-4-(piperidin-1-ylmethyl)aniline

C13H20N2 — CID 18319987

IUPACN-methyl-4-(piperidin-1-ylmethyl)aniline
SMILESCNc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyMYYSRNSOZIJQOV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-4-(piperidin-1-ylmethyl)aniline

N-methyl-4-(piperidin-1-ylmethyl)aniline (PubChem CID 18319987) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-4-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(piperidin-1-ylmethyl)aniline
PubChem CID18319987
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-4-(piperidin-1-ylmethyl)aniline
SMILESCNc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyMYYSRNSOZIJQOV-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
CID 116991205
1-[(4-methylphenyl)methyl]azepane
CID 3951815
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 108776126

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(piperidin-1-ylmethyl)aniline?
The IUPAC name of N-methyl-4-(piperidin-1-ylmethyl)aniline (CID 18319987) is N-methyl-4-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for N-methyl-4-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for N-methyl-4-(piperidin-1-ylmethyl)aniline is CNc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-methyl-4-(piperidin-1-ylmethyl)aniline?
The InChIKey is MYYSRNSOZIJQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of N-methyl-4-(piperidin-1-ylmethyl)aniline?
N-methyl-4-(piperidin-1-ylmethyl)aniline has a molecular weight of 204.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 18319987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).