N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine

C13H27N3 — CID 107163245

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCN1CCC(C)(CNCC2CCCN2)CC1
InChIInChI=1S/C13H27N3/c1-13(5-8-16(2)9-6-13)11-14-10-12-4-3-7-15-12/h12,14-15H,3-11H2,1-2H3
InChIKeyXTVLWZKTHHNQHL-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 107163245) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID107163245
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCN1CCC(C)(CNCC2CCCN2)CC1
InChIInChI=1S/C13H27N3/c1-13(5-8-16(2)9-6-13)11-14-10-12-4-3-7-15-12/h12,14-15H,3-11H2,1-2H3
InChIKeyXTVLWZKTHHNQHL-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552
1-(1-methylpiperidin-4-yl)-N-(piperidin-2-ylmethyl)methanamine
CID 106633809
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
2-methyl-3-[(pyrrolidin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100173
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633956
4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
CID 65281341
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 107163245) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine is CN1CCC(C)(CNCC2CCCN2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is XTVLWZKTHHNQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(5-8-16(2)9-6-13)11-14-10-12-4-3-7-15-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 107163245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).