(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol

C12H26N2O — CID 106933609

IUPAC(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC1CCNCC1)C[C@@H](C)O
InChIInChI=1S/C12H26N2O/c1-10(2)14(8-11(3)15)9-12-4-6-13-7-5-12/h10-13,15H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyAUWMOBUYOZAFGJ-LLVKDONJSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol

(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 106933609) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
PubChem CID106933609
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC1CCNCC1)C[C@@H](C)O
InChIInChI=1S/C12H26N2O/c1-10(2)14(8-11(3)15)9-12-4-6-13-7-5-12/h10-13,15H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyAUWMOBUYOZAFGJ-LLVKDONJSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpentanamide
CID 79720418
N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909
N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide
CID 79714818
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
1-chloro-3-[cyclopropylmethyl(propan-2-yl)amino]propan-2-ol
CID 112561477
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79716147

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol (CID 106933609) is (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol is CC(C)N(CC1CCNCC1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is AUWMOBUYOZAFGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14(8-11(3)15)9-12-4-6-13-7-5-12/h10-13,15H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol?
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 106933609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).