N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine

C15H31N3 — CID 115145636

IUPACN,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(CCN(C)C2CCNC(C)(C)C2)C1
InChIInChI=1S/C15H31N3/c1-15(2)11-14(5-8-16-15)18(4)10-7-13-6-9-17(3)12-13/h13-14,16H,5-12H2,1-4H3
InChIKeyISDKXRZDPBAMDG-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

About N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine

N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine (PubChem CID 115145636) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
PubChem CID115145636
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(CCN(C)C2CCNC(C)(C)C2)C1
InChIInChI=1S/C15H31N3/c1-15(2)11-14(5-8-16-15)18(4)10-7-13-6-9-17(3)12-13/h13-14,16H,5-12H2,1-4H3
InChIKeyISDKXRZDPBAMDG-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 115145562
1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
CID 117039576
1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol
CID 117039426
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
2,2-dimethyl-N-[2-(1-methylpiperidin-3-yl)ethyl]piperidin-4-amine
CID 115145605
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 115145554
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
N,2,2-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 115145402

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine (CID 115145636) is N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine is CN1CCC(CCN(C)C2CCNC(C)(C)C2)C1.
What is the InChIKey of N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine?
The InChIKey is ISDKXRZDPBAMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2)11-14(5-8-16-15)18(4)10-7-13-6-9-17(3)12-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine?
N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115145636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).