N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine

C16H32N2O — CID 66256395

IUPACN-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine
SMILESCCCNC1COCC1CN1CCC(CCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-5-14-6-9-18(10-7-14)11-15-12-19-13-16(15)17-8-4-2/h14-17H,3-13H2,1-2H3
InChIKeyYULUICMSNPRWBZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds7

About N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine

N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine (PubChem CID 66256395) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine
PubChem CID66256395
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine
SMILESCCCNC1COCC1CN1CCC(CCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-5-14-6-9-18(10-7-14)11-15-12-19-13-16(15)17-8-4-2/h14-17H,3-13H2,1-2H3
InChIKeyYULUICMSNPRWBZ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine (CID 66256395) is N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine is CCCNC1COCC1CN1CCC(CCC)CC1.
What is the InChIKey of N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine?
The InChIKey is YULUICMSNPRWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-14-6-9-18(10-7-14)11-15-12-19-13-16(15)17-8-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine?
N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[(4-propylpiperidin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66256395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).