N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine

C14H30N2 — CID 63855012

IUPACN-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCCN1CCC(C(C)NCCC)CC1
InChIInChI=1S/C14H30N2/c1-4-6-10-16-11-7-14(8-12-16)13(3)15-9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyIFXBULBWOPKBQJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine

N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 63855012) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID63855012
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCCN1CCC(C(C)NCCC)CC1
InChIInChI=1S/C14H30N2/c1-4-6-10-16-11-7-14(8-12-16)13(3)15-9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyIFXBULBWOPKBQJ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63855015
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine (CID 63855012) is N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine is CCCCN1CCC(C(C)NCCC)CC1.
What is the InChIKey of N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is IFXBULBWOPKBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-10-16-11-7-14(8-12-16)13(3)15-9-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine?
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63855012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).