N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine

C16H27N3S — CID 70771534

IUPACN,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine
SMILESCSCc1ccc(N2CCC(C(C)N(C)C)CC2)nc1
InChIInChI=1S/C16H27N3S/c1-13(18(2)3)15-7-9-19(10-8-15)16-6-5-14(11-17-16)12-20-4/h5-6,11,13,15H,7-10,12H2,1-4H3
InChIKeyHFVMDLLGICYBBV-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.11
Rot. Bonds5

About N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine

N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine (PubChem CID 70771534) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine
PubChem CID70771534
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine
SMILESCSCc1ccc(N2CCC(C(C)N(C)C)CC2)nc1
InChIInChI=1S/C16H27N3S/c1-13(18(2)3)15-7-9-19(10-8-15)16-6-5-14(11-17-16)12-20-4/h5-6,11,13,15H,7-10,12H2,1-4H3
InChIKeyHFVMDLLGICYBBV-UHFFFAOYSA-N
XLogP3.11
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine (CID 70771534) is N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine is CSCc1ccc(N2CCC(C(C)N(C)C)CC2)nc1.
What is the InChIKey of N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine?
The InChIKey is HFVMDLLGICYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-13(18(2)3)15-7-9-19(10-8-15)16-6-5-14(11-17-16)12-20-4/h5-6,11,13,15H,7-10,12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine?
N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 70771534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).