1-butyl-N-propan-2-ylpiperidin-4-amine

C12H26N2 — CID 43748392

IUPAC1-butyl-N-propan-2-ylpiperidin-4-amine
SMILESCCCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C12H26N2/c1-4-5-8-14-9-6-12(7-10-14)13-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyBPMXTWUCCMTBPE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds5

About 1-butyl-N-propan-2-ylpiperidin-4-amine

1-butyl-N-propan-2-ylpiperidin-4-amine (PubChem CID 43748392) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butyl-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-propan-2-ylpiperidin-4-amine
PubChem CID43748392
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-butyl-N-propan-2-ylpiperidin-4-amine
SMILESCCCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C12H26N2/c1-4-5-8-14-9-6-12(7-10-14)13-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyBPMXTWUCCMTBPE-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-butyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43748354
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-butyl-N-propan-2-ylpiperidin-4-amine (CID 43748392) is 1-butyl-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-butyl-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-butyl-N-propan-2-ylpiperidin-4-amine is CCCCN1CCC(NC(C)C)CC1.
What is the InChIKey of 1-butyl-N-propan-2-ylpiperidin-4-amine?
The InChIKey is BPMXTWUCCMTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-8-14-9-6-12(7-10-14)13-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-butyl-N-propan-2-ylpiperidin-4-amine?
1-butyl-N-propan-2-ylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43748392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).