[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol

C12H27N3O — CID 117012027

IUPAC[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
SMILESCNC1(CO)CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H27N3O/c1-13-12(11-16)5-9-15(10-6-12)8-4-7-14(2)3/h13,16H,4-11H2,1-3H3
InChIKeySRVIMUPPRBAEBD-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds6

About [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol

[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol (PubChem CID 117012027) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
PubChem CID117012027
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
SMILESCNC1(CO)CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H27N3O/c1-13-12(11-16)5-9-15(10-6-12)8-4-7-14(2)3/h13,16H,4-11H2,1-3H3
InChIKeySRVIMUPPRBAEBD-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Amino-1-methylpiperidin-4-yl)methanol
CID 15291735
(4-Aminopiperidin-4-yl)methanol dihydrochloride
CID 21882556
2-(4-((Methylamino)methyl)piperidin-1-yl)ethan-1-ol
CID 28063525
2-[(1-Methylpiperidin-4-yl)amino]propan-1-ol
CID 43499738
1-(Ethylamino)-3-(4-methyl-1-piperidinyl)-2-propanol
CID 2836730
{4-[(2,2,2-Trifluoroethyl)amino]piperidin-4-yl}methanol dihydrochloride
CID 71757812
{4-[(Propan-2-yl)amino]piperidin-4-yl}methanol dihydrochloride
CID 121552510
(4-(Dimethylamino)piperidin-4-yl)methanol dihydrochloride
CID 165946119
2-(1,2,5-Trimethyl-piperidin-4-ylamino)-butan-1-ol
CID 6486630
(4-((Cyclopropylmethyl)amino)piperidin-4-yl)methanol
CID 61243750
(4-Aminopiperidin-4-yl)methanol
CID 21882557
[1-Propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046015

Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol (CID 117012027) is [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol is CNC1(CO)CCN(CCCN(C)C)CC1.
What is the InChIKey of [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol?
The InChIKey is SRVIMUPPRBAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-13-12(11-16)5-9-15(10-6-12)8-4-7-14(2)3/h13,16H,4-11H2,1-3H3.
What are the key properties of [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol?
[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 117012027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).