1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine

C15H30N2 — CID 114113900

IUPAC1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2(C(C)C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-4-9-16-14-5-10-17(11-6-14)12-15(7-8-15)13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyLOSRKYDXUWWZRE-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds6

About 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine

1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 114113900) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine
PubChem CID114113900
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2(C(C)C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-4-9-16-14-5-10-17(11-6-14)12-15(7-8-15)13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyLOSRKYDXUWWZRE-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine (CID 114113900) is 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(CC2(C(C)C)CC2)CC1.
What is the InChIKey of 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is LOSRKYDXUWWZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-9-16-14-5-10-17(11-6-14)12-15(7-8-15)13(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine?
1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylcyclopropyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 114113900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).