2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol

C14H28N2OS2 — CID 50963111

IUPAC2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(CC1CCCN(CCO)C1)C1CSCCSC1
InChIInChI=1S/C14H28N2OS2/c1-15(14-11-18-7-8-19-12-14)9-13-3-2-4-16(10-13)5-6-17/h13-14,17H,2-12H2,1H3
InChIKeyCDTZYKVJPLCMRN-UHFFFAOYSA-N
MW304.53 g/mol
LogP1.47
Rot. Bonds5

About 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol

2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 50963111) has the molecular formula C14H28N2OS2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID50963111
Molecular FormulaC14H28N2OS2
Molecular Weight304.53 g/mol
Exact Mass304.16
IUPAC Name2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(CC1CCCN(CCO)C1)C1CSCCSC1
InChIInChI=1S/C14H28N2OS2/c1-15(14-11-18-7-8-19-12-14)9-13-3-2-4-16(10-13)5-6-17/h13-14,17H,2-12H2,1H3
InChIKeyCDTZYKVJPLCMRN-UHFFFAOYSA-N
XLogP1.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
2-[3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 66567812
2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 134712578
2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 95143050
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
tert-butyl N-[2-[(3R)-3-[[methyl-[(3S)-thiolan-3-yl]amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 100661998
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol (CID 50963111) is 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol is CN(CC1CCCN(CCO)C1)C1CSCCSC1.
What is the InChIKey of 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is CDTZYKVJPLCMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS2/c1-15(14-11-18-7-8-19-12-14)9-13-3-2-4-16(10-13)5-6-17/h13-14,17H,2-12H2,1H3.
What are the key properties of 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol?
2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 304.53 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 50963111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).