3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine

C21H33N3O — CID 86783017

IUPAC3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine
SMILESCC1CN(CC2CCCO2)CCC1Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H33N3O/c1-17-15-23(16-20-8-5-13-25-20)12-9-21(17)22-18-6-4-7-19(14-18)24-10-2-3-11-24/h4,6-7,14,17,20-22H,2-3,5,8-13,15-16H2,1H3
InChIKeyDUYUSHANEKUVHP-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.59
Rot. Bonds5

About 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine

3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine (PubChem CID 86783017) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine
PubChem CID86783017
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine
SMILESCC1CN(CC2CCCO2)CCC1Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H33N3O/c1-17-15-23(16-20-8-5-13-25-20)12-9-21(17)22-18-6-4-7-19(14-18)24-10-2-3-11-24/h4,6-7,14,17,20-22H,2-3,5,8-13,15-16H2,1H3
InChIKeyDUYUSHANEKUVHP-UHFFFAOYSA-N
XLogP3.59
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine (CID 86783017) is 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine is CC1CN(CC2CCCO2)CCC1Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine?
The InChIKey is DUYUSHANEKUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-15-23(16-20-8-5-13-25-20)12-9-21(17)22-18-6-4-7-19(14-18)24-10-2-3-11-24/h4,6-7,14,17,20-22H,2-3,5,8-13,15-16H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine?
3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine has a molecular weight of 343.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 86783017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).