(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol

C14H22N2O2 — CID 116756029

IUPAC(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cnccc2N)CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-18-14(7-4-2-3-5-8-14)13(17)11-10-16-9-6-12(11)15/h6,9-10,13,17H,2-5,7-8H2,1H3,(H2,15,16)
InChIKeyTXNNDSNKQMLNPT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds3

About (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol

(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116756029) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
PubChem CID116756029
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cnccc2N)CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-18-14(7-4-2-3-5-8-14)13(17)11-10-16-9-6-12(11)15/h6,9-10,13,17H,2-5,7-8H2,1H3,(H2,15,16)
InChIKeyTXNNDSNKQMLNPT-UHFFFAOYSA-N
XLogP2.44
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 116714089
3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol (CID 116756029) is (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2cnccc2N)CCCCCC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is TXNNDSNKQMLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14(7-4-2-3-5-8-14)13(17)11-10-16-9-6-12(11)15/h6,9-10,13,17H,2-5,7-8H2,1H3,(H2,15,16).
What are the key properties of (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol?
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 250.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116756029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).