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

C14H25N3 — CID 115145619

IUPACN,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
SMILESCN(CCc1cc[nH]c1)C1CCNC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-14(2)10-13(5-8-16-14)17(3)9-6-12-4-7-15-11-12/h4,7,11,13,15-16H,5-6,8-10H2,1-3H3
InChIKeyKHTKRZSJNIJLOC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.02
Rot. Bonds4

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

N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine (PubChem CID 115145619) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
PubChem CID115145619
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
SMILESCN(CCc1cc[nH]c1)C1CCNC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-14(2)10-13(5-8-16-14)17(3)9-6-12-4-7-15-11-12/h4,7,11,13,15-16H,5-6,8-10H2,1-3H3
InChIKeyKHTKRZSJNIJLOC-UHFFFAOYSA-N
XLogP2.02
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
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-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
CID 115145636
N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145537
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
N,2,2-trimethyl-N-phenylpiperidin-4-amine;hydrochloride
CID 156708950
N,2,2-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 115145562
N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146092
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213525
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine (CID 115145619) is N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine is CN(CCc1cc[nH]c1)C1CCNC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is KHTKRZSJNIJLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2)10-13(5-8-16-14)17(3)9-6-12-4-7-15-11-12/h4,7,11,13,15-16H,5-6,8-10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine?
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115145619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).