2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride

C8H17ClN2O2 — CID 45260320

IUPAC2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCNCC1
InChIInChI=1S/C8H16N2O2.ClH/c9-6-8(5-7(11)12)1-3-10-4-2-8;/h10H,1-6,9H2,(H,11,12);1H
InChIKeyMIOYADYYJWNYMQ-UHFFFAOYSA-N
MW208.69 g/mol
LogP0.21
Rot. Bonds3

About 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride

2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride (PubChem CID 45260320) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride
PubChem CID45260320
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCNCC1
InChIInChI=1S/C8H16N2O2.ClH/c9-6-8(5-7(11)12)1-3-10-4-2-8;/h10H,1-6,9H2,(H,11,12);1H
InChIKeyMIOYADYYJWNYMQ-UHFFFAOYSA-N
XLogP0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride (CID 45260320) is 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride is Cl.NCC1(CC(=O)O)CCNCC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride?
The InChIKey is MIOYADYYJWNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c9-6-8(5-7(11)12)1-3-10-4-2-8;/h10H,1-6,9H2,(H,11,12);1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride?
2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 45260320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).