2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine

C14H30N2 — CID 79064997

IUPAC2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
SMILESCCC(C)(C(N)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C14H30N2/c1-6-14(5,12(15)13(2,3)4)16-10-8-7-9-11-16/h12H,6-11,15H2,1-5H3
InChIKeyLRGGMZOXBPDYKY-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds3

About 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine

2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine (PubChem CID 79064997) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
PubChem CID79064997
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
SMILESCCC(C)(C(N)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C14H30N2/c1-6-14(5,12(15)13(2,3)4)16-10-8-7-9-11-16/h12H,6-11,15H2,1-5H3
InChIKeyLRGGMZOXBPDYKY-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
CID 102538625
5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine
CID 79069114
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79065521
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
3,5-dimethyl-3-piperidin-1-ylheptan-4-ol
CID 79445766
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106653620

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine?
The IUPAC name of 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine (CID 79064997) is 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine.
What is the SMILES notation for 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine?
The canonical SMILES for 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine is CCC(C)(C(N)C(C)(C)C)N1CCCCC1.
What is the InChIKey of 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine?
The InChIKey is LRGGMZOXBPDYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(5,12(15)13(2,3)4)16-10-8-7-9-11-16/h12H,6-11,15H2,1-5H3.
What are the key properties of 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine?
2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine is sourced from PubChem (CID 79064997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).