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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Related Compounds

N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine
CID 99781350
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
1-tert-butyl-3-[(3R,4S)-3-methyl-1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]urea
CID 124840714
(3aS,7aS)-N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 98848765
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(E)-3-(2-ethylpyrazol-3-yl)-N-[(3S,4R)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]prop-2-enamide
CID 97241045
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118784099
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445

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).