(2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol

C16H32N2O — CID 135033803

IUPAC(2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol
SMILESC[C@H](C[C@H](O)C[C@@H]1CCCCN1)C[C@@H]1CCCCN1
InChIInChI=1S/C16H32N2O/c1-13(10-14-6-2-4-8-17-14)11-16(19)12-15-7-3-5-9-18-15/h13-19H,2-12H2,1H3/t13-,14-,15-,16-/m0/s1
InChIKeyDIEGHGNTYXOAHK-VGWMRTNUSA-N
MW268.44 g/mol
LogP2.44
Rot. Bonds6

About (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol

(2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol (PubChem CID 135033803) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol
PubChem CID135033803
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol
SMILESC[C@H](C[C@H](O)C[C@@H]1CCCCN1)C[C@@H]1CCCCN1
InChIInChI=1S/C16H32N2O/c1-13(10-14-6-2-4-8-17-14)11-16(19)12-15-7-3-5-9-18-15/h13-19H,2-12H2,1H3/t13-,14-,15-,16-/m0/s1
InChIKeyDIEGHGNTYXOAHK-VGWMRTNUSA-N
XLogP2.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

9-Aza-1-methylbicyclo[3.3.1]nonan-3-ol
CID 137291
4-[1-(5-Fluoro-4-methylpiperidin-2-yl)propan-2-yl]piperidin-3-ol
CID 135136359
4-[1-(5-Fluoro-4-propan-2-ylpiperidin-2-yl)propan-2-yl]piperidin-3-ol
CID 155260607
(1R,3S)-i-Pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 129647981
Streptoaminal-9i
CID 139591491
1-(4-Pentylpiperidin-3-yl)hexan-1-ol
CID 20196574
1-(4-Butylpiperidin-3-yl)pentan-1-ol
CID 20196576
1-Piperidin-3-ylhexan-1-ol
CID 20196577
2-Methyl-4-piperidin-2-ylbutane-1,3-diol
CID 20309120
2-Ethyl-4-piperidin-2-ylbutane-1,3-diol
CID 21429707
3-Piperidin-2-yl-1-piperidin-4-ylpropan-1-ol
CID 53851923
6-Piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol
CID 57147095

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol?
The IUPAC name of (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol (CID 135033803) is (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol.
What is the SMILES notation for (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol?
The canonical SMILES for (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol is C[C@H](C[C@H](O)C[C@@H]1CCCCN1)C[C@@H]1CCCCN1.
What is the InChIKey of (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol?
The InChIKey is DIEGHGNTYXOAHK-VGWMRTNUSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(10-14-6-2-4-8-17-14)11-16(19)12-15-7-3-5-9-18-15/h13-19H,2-12H2,1H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol?
(2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-1,5-bis[(2S)-piperidin-2-yl]pentan-2-ol is sourced from PubChem (CID 135033803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).