1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine

C19H38N2O — CID 170953301

IUPAC1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
SMILESCC(C)CCCN1CCC(OC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)6-5-11-20-12-7-18(8-13-20)22-19-9-14-21(15-10-19)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyRSPHWKFFHKNXKH-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine

1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine (PubChem CID 170953301) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
PubChem CID170953301
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
SMILESCC(C)CCCN1CCC(OC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)6-5-11-20-12-7-18(8-13-20)22-19-9-14-21(15-10-19)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyRSPHWKFFHKNXKH-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
The IUPAC name of 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine (CID 170953301) is 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine.
What is the SMILES notation for 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
The canonical SMILES for 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine is CC(C)CCCN1CCC(OC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
The InChIKey is RSPHWKFFHKNXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-16(2)6-5-11-20-12-7-18(8-13-20)22-19-9-14-21(15-10-19)17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine has a molecular weight of 310.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine is sourced from PubChem (CID 170953301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).