N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline

C16H25N3 — CID 80553691

IUPACN-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
SMILESc1ccc(N2CCCC2)c(NCC2CCCNC2)c1
InChIInChI=1S/C16H25N3/c1-2-8-16(19-10-3-4-11-19)15(7-1)18-13-14-6-5-9-17-12-14/h1-2,7-8,14,17-18H,3-6,9-13H2
InChIKeyUONZBWQOUVEYMH-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.70
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline

N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline (PubChem CID 80553691) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
PubChem CID80553691
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
SMILESc1ccc(N2CCCC2)c(NCC2CCCNC2)c1
InChIInChI=1S/C16H25N3/c1-2-8-16(19-10-3-4-11-19)15(7-1)18-13-14-6-5-9-17-12-14/h1-2,7-8,14,17-18H,3-6,9-13H2
InChIKeyUONZBWQOUVEYMH-UHFFFAOYSA-N
XLogP2.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
2-(difluoromethylsulfanyl)-N-(piperidin-3-ylmethyl)aniline
CID 80553229
5-(piperidin-3-ylmethylamino)naphthalen-1-ol
CID 80554062
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline (CID 80553691) is N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline is c1ccc(N2CCCC2)c(NCC2CCCNC2)c1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline?
The InChIKey is UONZBWQOUVEYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-8-16(19-10-3-4-11-19)15(7-1)18-13-14-6-5-9-17-12-14/h1-2,7-8,14,17-18H,3-6,9-13H2.
What are the key properties of N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline?
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline has a molecular weight of 259.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 80553691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).