N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine

C10H21ClN2 — CID 174621432

IUPACN-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine
SMILESCC(C)(CCN1CCCCC1)NCl
InChIInChI=1S/C10H21ClN2/c1-10(2,12-11)6-9-13-7-4-3-5-8-13/h12H,3-9H2,1-2H3
InChIKeyQVCIQRRCXRVSHH-UHFFFAOYSA-N
MW204.74 g/mol
LogP2.38
Rot. Bonds4

About N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine

N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine (PubChem CID 174621432) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine
PubChem CID174621432
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC NameN-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine
SMILESCC(C)(CCN1CCCCC1)NCl
InChIInChI=1S/C10H21ClN2/c1-10(2,12-11)6-9-13-7-4-3-5-8-13/h12H,3-9H2,1-2H3
InChIKeyQVCIQRRCXRVSHH-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylbutyl)azocane
CID 166986973
4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
CID 7241619
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
2,2-difluoro-4-piperidin-1-ylbutan-1-amine
CID 69130450
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
4-[[[4-(azepan-1-yl)-2-methylbutan-2-yl]amino]methyl]benzoic acid
CID 122033069
4-[[4-(azepan-1-yl)-2-methylbutan-2-yl]carbamoylamino]butanoic acid
CID 122022777
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 24842768
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine?
The IUPAC name of N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine (CID 174621432) is N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine?
The canonical SMILES for N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine is CC(C)(CCN1CCCCC1)NCl.
What is the InChIKey of N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine?
The InChIKey is QVCIQRRCXRVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-10(2,12-11)6-9-13-7-4-3-5-8-13/h12H,3-9H2,1-2H3.
What are the key properties of N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine?
N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine has a molecular weight of 204.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 174621432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).