N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine

C20H28N4S — CID 45244892

IUPACN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
SMILESCSc1ncc(CNC2CCCN(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C20H28N4S/c1-25-20-22-14-18(15-23-20)13-21-19-10-6-12-24(16-19)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14-15,19,21H,5-6,9-13,16H2,1H3
InChIKeyVLUGWOKWRYGQEY-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.39
Rot. Bonds8

About N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine (PubChem CID 45244892) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
PubChem CID45244892
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
SMILESCSc1ncc(CNC2CCCN(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C20H28N4S/c1-25-20-22-14-18(15-23-20)13-21-19-10-6-12-24(16-19)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14-15,19,21H,5-6,9-13,16H2,1H3
InChIKeyVLUGWOKWRYGQEY-UHFFFAOYSA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
CID 45222723
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
CID 30674042
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219
1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 56912861

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine (CID 45244892) is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine.
What is the SMILES notation for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The canonical SMILES for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine is CSc1ncc(CNC2CCCN(CCCc3ccccc3)C2)cn1.
What is the InChIKey of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The InChIKey is VLUGWOKWRYGQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-25-20-22-14-18(15-23-20)13-21-19-10-6-12-24(16-19)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14-15,19,21H,5-6,9-13,16H2,1H3.
What are the key properties of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine has a molecular weight of 356.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine is sourced from PubChem (CID 45244892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).