1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine

C17H27N3 — CID 43684534

IUPAC1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
SMILESCN1CCC(Nc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-19-12-8-17(9-13-19)18-16-6-4-15(5-7-16)14-20-10-2-3-11-20/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyZXQNLNGBHYNALX-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.79
Rot. Bonds4

About 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine

1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine (PubChem CID 43684534) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
PubChem CID43684534
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
SMILESCN1CCC(Nc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-19-12-8-17(9-13-19)18-16-6-4-15(5-7-16)14-20-10-2-3-11-20/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyZXQNLNGBHYNALX-UHFFFAOYSA-N
XLogP2.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891
N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64762801
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43684589
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine (CID 43684534) is 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine is CN1CCC(Nc2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine?
The InChIKey is ZXQNLNGBHYNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-12-8-17(9-13-19)18-16-6-4-15(5-7-16)14-20-10-2-3-11-20/h4-7,17-18H,2-3,8-14H2,1H3.
What are the key properties of 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine?
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43684534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).