N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine

C18H28N2S — CID 107269988

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCSC1(CNC2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2S/c1-21-18(10-11-18)15-19-17-8-13-20(14-9-17)12-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeySXGVVQOFFMPBGC-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.18
Rot. Bonds7

About N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 107269988) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID107269988
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCSC1(CNC2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2S/c1-21-18(10-11-18)15-19-17-8-13-20(14-9-17)12-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeySXGVVQOFFMPBGC-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 119165252
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
CID 122127811
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine (CID 107269988) is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine is CSC1(CNC2CCN(CCc3ccccc3)CC2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is SXGVVQOFFMPBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-21-18(10-11-18)15-19-17-8-13-20(14-9-17)12-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 304.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 107269988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).