(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride

C10H18Cl2N4 — CID 19079019

IUPAC(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H16N4.2ClH/c11-8-9-2-6-14(7-3-9)10-12-4-1-5-13-10;;/h1,4-5,9H,2-3,6-8,11H2;2*1H
InChIKeyBTMPTBVFEBPRFL-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.50
Rot. Bonds2

About (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride

(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride (PubChem CID 19079019) has the molecular formula C10H18Cl2N4 and a molecular weight of 265.19 g/mol. Its IUPAC name is (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
PubChem CID19079019
Molecular FormulaC10H18Cl2N4
Molecular Weight265.19 g/mol
Exact Mass264.09
IUPAC Name(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H16N4.2ClH/c11-8-9-2-6-14(7-3-9)10-12-4-1-5-13-10;;/h1,4-5,9H,2-3,6-8,11H2;2*1H
InChIKeyBTMPTBVFEBPRFL-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride?
The IUPAC name of (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride (CID 19079019) is (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride is Cl.Cl.NCC1CCN(c2ncccn2)CC1.
What is the InChIKey of (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride?
The InChIKey is BTMPTBVFEBPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.2ClH/c11-8-9-2-6-14(7-3-9)10-12-4-1-5-13-10;;/h1,4-5,9H,2-3,6-8,11H2;2*1H.
What are the key properties of (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride?
(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride has a molecular weight of 265.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-2-ylpiperidin-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 19079019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).