1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine

C17H27NO3S — CID 110725489

IUPAC1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C17H27NO3S/c1-15(2)21-17-10-12-18(13-11-17)22(19,20)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3
InChIKeyJJWFJUCMBMQRTM-UHFFFAOYSA-N
MW325.47 g/mol
LogP2.84
Rot. Bonds7

About 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine

1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine (PubChem CID 110725489) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
PubChem CID110725489
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C17H27NO3S/c1-15(2)21-17-10-12-18(13-11-17)22(19,20)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3
InChIKeyJJWFJUCMBMQRTM-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
(3R)-1-ethylsulfonyl-3-(3-phenylpropoxy)pyrrolidine
CID 96563395
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 113088100
(3-methylpiperidin-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone
CID 113005867
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28570527
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine?
The IUPAC name of 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine (CID 110725489) is 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine.
What is the SMILES notation for 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine?
The canonical SMILES for 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine is CC(C)OC1CCN(S(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine?
The InChIKey is JJWFJUCMBMQRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-15(2)21-17-10-12-18(13-11-17)22(19,20)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3.
What are the key properties of 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine?
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine has a molecular weight of 325.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine is sourced from PubChem (CID 110725489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).