1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

C22H31N3O — CID 134713948

IUPAC1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
SMILESCCCN1CCC(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C22H31N3O/c1-2-11-25-12-8-19(9-13-25)24-22-16-26-15-18(22)14-17-7-10-23-21-6-4-3-5-20(17)21/h3-7,10,18-19,22,24H,2,8-9,11-16H2,1H3/t18-,22+/m1/s1
InChIKeyXBAZSSHSXYMALJ-GCJKJVERSA-N
MW353.51 g/mol
LogP3.26
Rot. Bonds6

About 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine (PubChem CID 134713948) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
PubChem CID134713948
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
SMILESCCCN1CCC(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C22H31N3O/c1-2-11-25-12-8-19(9-13-25)24-22-16-26-15-18(22)14-17-7-10-23-21-6-4-3-5-20(17)21/h3-7,10,18-19,22,24H,2,8-9,11-16H2,1H3/t18-,22+/m1/s1
InChIKeyXBAZSSHSXYMALJ-GCJKJVERSA-N
XLogP3.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine (CID 134713948) is 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine is CCCN1CCC(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1.
What is the InChIKey of 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The InChIKey is XBAZSSHSXYMALJ-GCJKJVERSA-N. The full InChI is InChI=1S/C22H31N3O/c1-2-11-25-12-8-19(9-13-25)24-22-16-26-15-18(22)14-17-7-10-23-21-6-4-3-5-20(17)21/h3-7,10,18-19,22,24H,2,8-9,11-16H2,1H3/t18-,22+/m1/s1.
What are the key properties of 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 134713948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).