(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride

C14H29Cl2N3O2 — CID 154911945

IUPAC(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride
SMILESCN(C)CC1(O)CCN(C(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-16(2)11-13(19)7-9-17(10-8-13)12(18)14(15)5-3-4-6-14;;/h19H,3-11,15H2,1-2H3;2*1H
InChIKeyPOBXHYXGAKNNTN-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.02
Rot. Bonds3

About (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride

(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride (PubChem CID 154911945) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride
PubChem CID154911945
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride
SMILESCN(C)CC1(O)CCN(C(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-16(2)11-13(19)7-9-17(10-8-13)12(18)14(15)5-3-4-6-14;;/h19H,3-11,15H2,1-2H3;2*1H
InChIKeyPOBXHYXGAKNNTN-UHFFFAOYSA-N
XLogP1.02
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride (CID 154911945) is (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride is CN(C)CC1(O)CCN(C(=O)C2(N)CCCC2)CC1.Cl.Cl.
What is the InChIKey of (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride?
The InChIKey is POBXHYXGAKNNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-16(2)11-13(19)7-9-17(10-8-13)12(18)14(15)5-3-4-6-14;;/h19H,3-11,15H2,1-2H3;2*1H.
What are the key properties of (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 154911945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).