2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol

C19H37N3O — CID 82565137

IUPAC2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol
SMILESCC1CCN(CC2CCNCC2N2CCCCC2CCO)CC1
InChIInChI=1S/C19H37N3O/c1-16-6-11-21(12-7-16)15-17-5-9-20-14-19(17)22-10-3-2-4-18(22)8-13-23/h16-20,23H,2-15H2,1H3
InChIKeyHTJMWONVOMTZPJ-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.93
Rot. Bonds5

About 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol

2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol (PubChem CID 82565137) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol
PubChem CID82565137
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol
SMILESCC1CCN(CC2CCNCC2N2CCCCC2CCO)CC1
InChIInChI=1S/C19H37N3O/c1-16-6-11-21(12-7-16)15-17-5-9-20-14-19(17)22-10-3-2-4-18(22)8-13-23/h16-20,23H,2-15H2,1H3
InChIKeyHTJMWONVOMTZPJ-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol (CID 82565137) is 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol is CC1CCN(CC2CCNCC2N2CCCCC2CCO)CC1.
What is the InChIKey of 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
The InChIKey is HTJMWONVOMTZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-16-6-11-21(12-7-16)15-17-5-9-20-14-19(17)22-10-3-2-4-18(22)8-13-23/h16-20,23H,2-15H2,1H3.
What are the key properties of 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol has a molecular weight of 323.53 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 82565137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).