N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine

C19H38N2O — CID 139312110

IUPACN-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine
SMILESCC(CC1CCCC(N(C)C(C)C)C1)OC1CCN(C)CC1
InChIInChI=1S/C19H38N2O/c1-15(2)21(5)18-8-6-7-17(14-18)13-16(3)22-19-9-11-20(4)12-10-19/h15-19H,6-14H2,1-5H3
InChIKeyFBTLRVHRJFBXLL-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.77
Rot. Bonds6

About N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine

N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine (PubChem CID 139312110) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine
PubChem CID139312110
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine
SMILESCC(CC1CCCC(N(C)C(C)C)C1)OC1CCN(C)CC1
InChIInChI=1S/C19H38N2O/c1-15(2)21(5)18-8-6-7-17(14-18)13-16(3)22-19-9-11-20(4)12-10-19/h15-19H,6-14H2,1-5H3
InChIKeyFBTLRVHRJFBXLL-UHFFFAOYSA-N
XLogP3.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine (CID 139312110) is N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine is CC(CC1CCCC(N(C)C(C)C)C1)OC1CCN(C)CC1.
What is the InChIKey of N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is FBTLRVHRJFBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-15(2)21(5)18-8-6-7-17(14-18)13-16(3)22-19-9-11-20(4)12-10-19/h15-19H,6-14H2,1-5H3.
What are the key properties of N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine?
N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(1-methylpiperidin-4-yl)oxypropyl]-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 139312110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).