N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine

C21H34N2 — CID 83993929

IUPACN-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
SMILESCCCCC1CC(NCc2ccccc2)CN(C(C)C2CC2)C1
InChIInChI=1S/C21H34N2/c1-3-4-8-19-13-21(22-14-18-9-6-5-7-10-18)16-23(15-19)17(2)20-11-12-20/h5-7,9-10,17,19-22H,3-4,8,11-16H2,1-2H3
InChIKeyAYAHPHAKJSZNFK-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.46
Rot. Bonds8

About N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine

N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine (PubChem CID 83993929) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
PubChem CID83993929
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
SMILESCCCCC1CC(NCc2ccccc2)CN(C(C)C2CC2)C1
InChIInChI=1S/C21H34N2/c1-3-4-8-19-13-21(22-14-18-9-6-5-7-10-18)16-23(15-19)17(2)20-11-12-20/h5-7,9-10,17,19-22H,3-4,8,11-16H2,1-2H3
InChIKeyAYAHPHAKJSZNFK-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-1-(1-cyclopropylethyl)-N-ethylpiperidin-3-amine
CID 83990582
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993954
3-[1-(1-cyclopropylethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990589
3-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]propanoic acid
CID 83993818
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine?
The IUPAC name of N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine (CID 83993929) is N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine?
The canonical SMILES for N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine is CCCCC1CC(NCc2ccccc2)CN(C(C)C2CC2)C1.
What is the InChIKey of N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine?
The InChIKey is AYAHPHAKJSZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-3-4-8-19-13-21(22-14-18-9-6-5-7-10-18)16-23(15-19)17(2)20-11-12-20/h5-7,9-10,17,19-22H,3-4,8,11-16H2,1-2H3.
What are the key properties of N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine?
N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine has a molecular weight of 314.52 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine is sourced from PubChem (CID 83993929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).